Yiquan Wang (王一权)

Wang, Y., Cai, M., et al. (2026). Sequence context decodes multi-state conformational heterogeneity from crystallographic B-factors. Science China Life Sciences, in press (earlier version: LMRL Workshop at ICLR 2026).

Static crystal structures retain clues to protein motion even when lattice packing obscures them. BFC uses protein-language-model sequence context to recover residue-wise conformational heterogeneity from B-factors, matching crystallographic ensemble profiles with a Pearson correlation of 0.83. Docking, chaperone, and antibody case studies illustrate how the corrected signal can support structural analysis.

Wang, Y., Cai, M., et al. (2025). From Signal to Symphony: Exploring 2D Sequence Representations for Protein Function Prediction. Journal of Chemical Information and Modeling. [PDF]

Amino acid sequences can be read as musical scores: hydrophobicity sets pitch and molecular weight sets rhythm. Converting these sequences into two-dimensional spectrograms provides useful representations for protein function prediction. Benchmarking and ablations show that much of the predictive signal comes from the 1D-to-2D transformation itself, with biophysical encoding providing a further gain; a computational proof-of-concept extends the representation to GFP design.

Wang, Y. (2026). Descriptive power and predictive limits of a discrete Hasimoto–DNLS model of protein backbone structure. Physica D: Nonlinear Phenomena. [arXiv]

An exact decomposition of the Hasimoto–DNLS effective potential separates chirality from the contributions of local backbone geometry. Analysis across 856 proteins shows why this compact representation describes folded structures yet fails to predict native folds through a local real-potential reduction. The map is a kinematic identity, and its dispersion residual provides a geometric marker of near-integrable α-helices.

Wang, Y. (2026). Spectral analysis of protein backbone geometry reveals abrupt helix–coil boundaries. The European Physical Journal E. [arXiv]

Helices and coils leave distinct spectral signatures in backbone geometry. Mapping 1,986 protein structures through the discrete Hasimoto transform reveals abrupt, directionally asymmetric boundaries between low-entropy helices and broadband coils. Pointwise integrability and windowed spectral probes capture complementary features; the analysis also explains boundary assignment ambiguity and the spatial–spectral trade-off that limits windowed measurements.

Wang, Y., Zai, J., Liu, Z., Chen, J., & Sabir, E.* (2026). Hamiltonian Connectivity in k-Ary n-Cubes under a Region-Based Fault Model. Information Sciences.

Clustered failures challenge network reliability differently from isolated faults. The Region-Based Fault model represents damage as spatially constrained connected subgraphs and establishes conditions for Hamiltonian connectivity in k-ary n-cubes with odd k ≥ 3 and n ≥ 2. A constructive adaptive algorithm supports the proof, while experiments identify separation between fault clusters as a key factor in resilience.

Wang, Y.*, et al. (2026). AI Driven Discovery of Bio Ecological Mediation in Cascading Heatwave Risks. Physics and Chemistry of the Earth.

Heatwave risks propagate across disciplinary boundaries, but the evidence is scattered across thousands of studies. HeDA organizes 8,365 publications into a knowledge graph with 34,933 entities and 42,890 directed relationships. Held-out reasoning tests show benefits from graph augmentation, while the reconstructed topology highlights agriculture and human health as structural mediators linking thermal stress to wider socioeconomic losses.